CID 19188

Phenoxyacetic acid

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChIKey

LCPDWSOZIOUXRV-UHFFFAOYSA-N

Compound name

2-phenoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 244
References: 33631
Patents: 152.04735 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.05463	129.2
[M+Na]+	175.03657	141.2
[M+NH4]+	170.08117	137.2
[M+K]+	191.01051	135.9
[M-H]-	151.04007	130.2
[M+Na-2H]-	173.02202	135.9
[M]+	152.04680	131.0
[M]-	152.04790	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe